3-fluoro-N-(2-imidazol-1-ylethyl)aniline

C11H12FN3 — CID 62564347

IUPAC3-fluoro-N-(2-imidazol-1-ylethyl)aniline
SMILESFc1cccc(NCCn2ccnc2)c1
InChIInChI=1S/C11H12FN3/c12-10-2-1-3-11(8-10)14-5-7-15-6-4-13-9-15/h1-4,6,8-9,14H,5,7H2
InChIKeyYNRXOJSTUBUQDL-UHFFFAOYSA-N
MW205.24 g/mol
LogP2.13
Rot. Bonds4

About 3-fluoro-N-(2-imidazol-1-ylethyl)aniline

3-fluoro-N-(2-imidazol-1-ylethyl)aniline (PubChem CID 62564347) has the molecular formula C11H12FN3 and a molecular weight of 205.24 g/mol. Its IUPAC name is 3-fluoro-N-(2-imidazol-1-ylethyl)aniline.

Molecular Properties

Compound Name3-fluoro-N-(2-imidazol-1-ylethyl)aniline
PubChem CID62564347
Molecular FormulaC11H12FN3
Molecular Weight205.24 g/mol
Exact Mass205.10
IUPAC Name3-fluoro-N-(2-imidazol-1-ylethyl)aniline
SMILESFc1cccc(NCCn2ccnc2)c1
InChIInChI=1S/C11H12FN3/c12-10-2-1-3-11(8-10)14-5-7-15-6-4-13-9-15/h1-4,6,8-9,14H,5,7H2
InChIKeyYNRXOJSTUBUQDL-UHFFFAOYSA-N
XLogP2.13
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.24
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-fluoro-N-[2-(1,2,4-triazol-1-yl)ethyl]aniline
CID 62564168
1-N-(3-imidazol-1-ylpropyl)-3-N,3-N-dimethylbenzene-1,3-diamine
CID 82539232
N-[(3-fluorophenyl)methyl]-4-imidazol-1-ylbutan-1-amine
CID 61070174
2-chloro-4-(2-imidazol-1-ylethylamino)benzoic acid
CID 62945455
2-bromo-4-(2-imidazol-1-ylethylamino)benzoic acid
CID 107281777
1-(3-fluorophenyl)-N-(3-imidazol-1-ylpropyl)propan-1-amine
CID 114871153
2-N-(2-imidazol-1-ylethyl)benzene-1,2-diamine
CID 61325096
N-(2-imidazol-1-ylethyl)-3-methyl-4-nitroaniline
CID 60969123
4-(2-imidazol-1-ylethylamino)-2-(trifluoromethyl)benzoic acid
CID 62709977
3-fluoro-2-(2-imidazol-1-ylethylamino)benzoic acid
CID 62648859
4-(2-imidazol-1-ylethylamino)benzenecarbothioamide
CID 54951452
N-[(2-chloro-5-fluorophenyl)methyl]-2-imidazol-1-ylethanamine
CID 102615563

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-(2-imidazol-1-ylethyl)aniline?
The IUPAC name of 3-fluoro-N-(2-imidazol-1-ylethyl)aniline (CID 62564347) is 3-fluoro-N-(2-imidazol-1-ylethyl)aniline.
What is the SMILES notation for 3-fluoro-N-(2-imidazol-1-ylethyl)aniline?
The canonical SMILES for 3-fluoro-N-(2-imidazol-1-ylethyl)aniline is Fc1cccc(NCCn2ccnc2)c1.
What is the InChIKey of 3-fluoro-N-(2-imidazol-1-ylethyl)aniline?
The InChIKey is YNRXOJSTUBUQDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN3/c12-10-2-1-3-11(8-10)14-5-7-15-6-4-13-9-15/h1-4,6,8-9,14H,5,7H2.
What are the key properties of 3-fluoro-N-(2-imidazol-1-ylethyl)aniline?
3-fluoro-N-(2-imidazol-1-ylethyl)aniline has a molecular weight of 205.24 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-(2-imidazol-1-ylethyl)aniline is sourced from PubChem (CID 62564347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).